CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(NCC2)C(=O)OCC
Nom: ethyl 2-ethyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
SMILES: CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(NCC2)C(=O)OCC

Molecular Processing

Molecular formula
C44H41N7O2
Molecular weight
699.86
Exact mass
699.3322
XLogP
7.4
TPSA
99.75
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
53
Rings
8
Aromatic rings
7
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.205
Molar refractivity
205.08

Supplementary Information

InChIKey: PKUCZPWBGROVIH-UHFFFAOYSA-N
Synonymes
SCHEMBL9043789PKUCZPWBGROVIH-UHFFFAOYSA-Nethyl 2-ethyl-3-[2'-(1 -trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateethyl 2-ethyl-3-[2'-(1-trityl- 1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateEthyl 2-ethyl-3-{2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl}methyl-4,5,6,7-tetrahydroimidazo[4,5-c]-pyridine-4-carboxylate
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→